(5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole

C24H24NO2P — CID 135023210

IUPAC(5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1CN=C(c2ccccc2P(=O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H24NO2P/c1-18(2)22-17-25-24(27-22)21-15-9-10-16-23(21)28(26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m1/s1
InChIKeyMVYDQWYLOYKJBO-JOCHJYFZSA-N
MW389.44 g/mol
LogP4.13
Rot. Bonds5

About (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole

(5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 135023210) has the molecular formula C24H24NO2P and a molecular weight of 389.44 g/mol. Its IUPAC name is (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID135023210
Molecular FormulaC24H24NO2P
Molecular Weight389.44 g/mol
Exact Mass389.15
IUPAC Name(5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1CN=C(c2ccccc2P(=O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H24NO2P/c1-18(2)22-17-25-24(27-22)21-15-9-10-16-23(21)28(26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m1/s1
InChIKeyMVYDQWYLOYKJBO-JOCHJYFZSA-N
XLogP4.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4R)-2-(2-(Diphenylphosphanyl)phenyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 2734144
(S)-t-BuPHOX
CID 9937955
(4S)-2-(2-(Diphenylphosphanyl)phenyl)-5,5-dimethyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 71310816
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-2-(2-(Diphenylphosphino)phenyl)-4-isopropyl-1,3-oxazoline
CID 9807779
diphenyl-[2-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane
CID 9841764
(S)-2-[2-[Bis(2-tolyl)phosphino]phenyl]-4-tert-butyl-2-oxazoline
CID 10975373
[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 11081765
[2-(4-Tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis(4-fluorophenyl)phosphane
CID 72982768
[2-(4-Propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 85392048
Fluoro-(4-methylphenyl)-[(2-phenyl-4,5-dihydro-1,3-oxazol-5-yl)methyl]-lambda3-iodane
CID 178252038
(4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
CID 2733121

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 135023210) is (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1CN=C(c2ccccc2P(=O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is MVYDQWYLOYKJBO-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24NO2P/c1-18(2)22-17-25-24(27-22)21-15-9-10-16-23(21)28(26,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22H,17H2,1-2H3/t22-/m1/s1.
What are the key properties of (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole?
(5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 389.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-diphenylphosphorylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135023210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).